3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide

C10H13FN2OS — CID 126772152

IUPAC3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CC(F)C2)s1
InChIInChI=1S/C10H13FN2OS/c1-7-2-3-9(15-7)4-12-10(14)13-5-8(11)6-13/h2-3,8H,4-6H2,1H3,(H,12,14)
InChIKeyGIMKKQRIVPBFPN-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds2

About 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide

3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide (PubChem CID 126772152) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide
PubChem CID126772152
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CC(F)C2)s1
InChIInChI=1S/C10H13FN2OS/c1-7-2-3-9(15-7)4-12-10(14)13-5-8(11)6-13/h2-3,8H,4-6H2,1H3,(H,12,14)
InChIKeyGIMKKQRIVPBFPN-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide (CID 126772152) is 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide is Cc1ccc(CNC(=O)N2CC(F)C2)s1.
What is the InChIKey of 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide?
The InChIKey is GIMKKQRIVPBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-7-2-3-9(15-7)4-12-10(14)13-5-8(11)6-13/h2-3,8H,4-6H2,1H3,(H,12,14).
What are the key properties of 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide?
3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 126772152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).